PCIDB

KNApSAcK Metabolite C00006341

Metabolite

KNApSAcK Entry

id C00006341
Name Isoorientin 4'-O-glucoside-2''-(4-glucosyloxy-2,5-dihydroxycinnamante)
CAS RN 80749-68-4
Standard InChI InChI=1S/C42H46O25/c43-10-24-32(54)36(58)40(67-27(51)4-2-13-5-17(48)22(7-15(13)46)64-42-38(60)35(57)31(53)26(12-45)66-42)39(62-24)29-19(50)9-23-28(33(29)55)18(49)8-21(61-23)14-1-3-20(16(47)6-14)63-41-37(59)34(56)30(52)25(11-44)65-41/h1-9,24-26,30-32,34-48,50,52-60H,10-12H2/b4-2+/t24?,25?,26?,30-,31-,32-,34+,35?,36+,37?,38?,39+,40?,41-,42-/m1/s1
Standard InChI (Main Layer) InChI=1S/C42H46O25/c43-10-24-32(54)36(58)40(67-27(51)4-2-13-5-17(48)22(7-15(13)46)64-42-38(60)35(57)31(53)26(12-45)66-42)39(62-24)29-19(50)9-23-28(33(29)55)18(49)8-21(61-23)14-1-3-20(16(47)6-14)63-41-37(59)34(56)30(52)25(11-44)65-41/h1-9,24-26,30-32,34-48,50,52-60H,10-12H2

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 7

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Gentianaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Gentiana punctata 49953 Gentianaceae asterids Viridiplantae